Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
Catalog ID
STK417672
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])/C=C/c1ccc(cc1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H13ClN2O3 MW 316.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O3/c1-11-2-8-14(19(21)22)10-15(11)18-16(20)9-5-12-3-6-13(17)7-4-12/h2-10H,1H3,(H,18,20)/b9-5+InChIKey
NTUBBTOUKYNFGW-WEVVVXLNSA-NSynonyms
(2E)3(4chlorophenyl)N(2methyl5nitrophenyl)prop2enamide
(E)3(4CHLOROPHENYL)N(2METHYL5NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C=CC2=CC=C(C=C2)Cl
InChI=1SC16H13ClN2O3c1112814(19(21)22)1015(11)1816(20)95123613(17)7412h210H1H3(H1820)b95+
MFCD01349027
O=C(Nc1cc(ccc1C)(N+)(=O)(O))C=Cc1ccc(cc1)Cl
ZINC000000476377
ZINC00476377
ZINC476377
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